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Cas Database

Name	Ethyleneurea	EINECS	204-436-4
CAS No.	120-93-4	Density	1.114 g/cm³
PSA	41.13000	LogP	-0.04320
Solubility	soluble in water	Melting Point	129-132 °C(lit.)
Formula	C₃H₆N₂O	Boiling Point	358.711 °C at 760 mmHg
Molecular Weight	86.0934	Flash Point	202.519 °C
Transport Information	N/A	Appearance	White crystalline powder
Safety	26	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Urea,ethylene- (7CI);1,3-Ethyleneurea;2-Imidazolidone;2-Oxoimidazolidine;Imidazolidinone;N,N'-Ethyleneurea;NSC 21314;NSC 3338;SD 6073;Urea, N,N'-(1,2-ethanediyl)-;	Article Data	101

Ethyleneurea Synthetic route

: 32682-96-5
1-carboxy-2-imidazolidinone

: 120-93-4
imidazolidone

Conditions

Conditions	Yield
In water-d2 at 25℃; Rate constant; Mechanism;	100%

: 124-38-9
carbon dioxide

: 107-15-3
ethylenediamine

: 120-93-4
imidazolidone

Conditions

Conditions	Yield
With 2-pyrrolidinon; caesium carbonate at 200℃; under 37503.8 Torr; for 2h; Temperature; Pressure; Reagent/catalyst; Solvent; Autoclave;	99%
With caesium carbonate at 200℃; under 37503.8 Torr; for 2h; Reagent/catalyst; Temperature; Pressure; Autoclave;	99%
at 180℃; under 75007.5 Torr; for 24h; Autoclave;	96.9%

: 67-56-1
methanol

: 40424-08-6
1,1'-(2-oxoimidazolidine-1,3-diyl)bis(propan-1-one)

A: 120-93-4
imidazolidone

B: 554-12-1
propanoic acid methyl ester

Conditions

Conditions	Yield
With C17H23BN2O at 50℃; under 760.051 Torr; for 15h; Inert atmosphere; chemoselective reaction;	A 97% B n/a

: 74124-79-1
di(succinimido) carbonate

: 107-15-3
ethylenediamine

: 120-93-4
imidazolidone

Conditions

Conditions	Yield
In acetonitrile for 8h; Ambient temperature;	90%

: 107-15-3
ethylenediamine

: 616-38-6
carbonic acid dimethyl ester

: 120-93-4
imidazolidone

Conditions

Conditions	Yield
With sodium methylate In methanol; toluene at 55 - 90℃; for 3h; Temperature; Concentration; Solvent; Time; Inert atmosphere;	90%
With sodium methylate In methanol; toluene at 23 - 90℃; for 3h; Inert atmosphere;	90%

: 67-56-1
methanol

: 124-38-9
carbon dioxide

: 107-15-3
ethylenediamine

A: 120-93-4
imidazolidone

B: 694-32-6
1-methyl-2-imidazolidone

Conditions

Conditions	Yield
With ZnO-KF loaded on γ-Al2O3 at 180℃; under 7500.75 Torr; for 4h; Reagent/catalyst; Temperature;	A 86.3% B n/a

: 64-17-5
ethanol

: 124-38-9
carbon dioxide

: 107-15-3
ethylenediamine

A: 120-93-4
imidazolidone

B: 872-69-5
1-ethylimidazolidine-2-one

Conditions

Conditions	Yield
With ZnO-KF loaded on γ-Al2O3 at 180℃; under 7500.75 Torr; for 4h;	A 82.5% B n/a

: 71-23-8
propan-1-ol

: 124-38-9
carbon dioxide

: 107-15-3
ethylenediamine

A: 120-93-4
imidazolidone

B: 40424-27-9
1-propyl-2-imidazolidone

Conditions

Conditions	Yield
With ZnO-KF loaded on γ-Al2O3 at 180℃; under 7500.75 Torr; for 4h;	A 80.5% B n/a

: 868-84-8
S,S-dimethyl dithiocarbonate

: 107-15-3
ethylenediamine

: 120-93-4
imidazolidone

Conditions

Conditions	Yield
In methanol at 60℃; for 24h;	80%

: C3H8N2O

: 120-93-4
imidazolidone

Conditions

Conditions	Yield
With trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane In acetonitrile at 20℃; for 0.583333h; chemoselective reaction;	80%

Ethyleneurea Consensus Reports

Reported in EPA TSCA Inventory.

Ethyleneurea Specification

The 2-Imidazolidinone, with the cas register number 120-93-4, has the IUPAC name of imidazolidin-2-one. This is a kind of colorless acicular crystalline, and is soluble in water and hot ethanol while insoluble in ethyl ether. When store, it should be kept at room temperature.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.23; (2)ACD/LogD (pH 5.5): -1.23; (3)ACD/LogD (pH 7.4): -1.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.1; (7)ACD/KOC (pH 7.4): 5.1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 23.55; (11)Index of Refraction: 1.447; (12)Molar Refractivity: 20.66 cm³; (13)Molar Volume: 77.2 cm³; (14)Polarizability: 8.19× 10^-24cm³; (15)Surface Tension: 30.8 dyne/cm; (16)Density: 1.114 g/cm³; (17)Flash Point: 202.5 °C; (18)Enthalpy of Vaporization: 60.42 kJ/mol; (19)Boiling Point: 358.7 °C at 760 mmHg; (20)Vapour Pressure: 2.5E-05 mmHg at 25°C; (21)Exact Mass 86.048013; (22)MonoIsotopic Mass 86.048013; (23)Topological Polar Surface Area 41.1; (24)Heavy Atom Count 6; (25)Complexity 63.2.

The production method of this chemical is below: It could be produce from the thermocompression of quadrol and carbon dioxide, and it could also be made from the condensation and closed loop of quadrol, urea and water.

As to its usage, it is widely applied in many way. It could be used as the formaldehyde scavenger to remove the formaldehyde in the clear-up fabric, such as 2D-resin, KB resin, UF, melamino-formaldehyde resin, and so on; It could also be used in the fined chemical intermediate and in making resin, plasticizer, spray paint, adhesives, and so on.

You should be cautious while dealing with this chemical. It is irritating to eyes, respiratory system and skin, and may cause inflammation to the skin or other mucous. So you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C1NCCN1
(2)InChI:InChI=1/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
(3)InChIKey:YAMHXTCMCPHKLN-UHFFFAOYAA

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

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